Geometry & MOs

Info

ID:

215060

PubChem CID:

85084073

Reduced:

NO15C31H55 (1)

Stoich.:

AB15C31D55 (1)

Weight, g/mol:

681.314911

ΔHf, kcal/mol:

-712.49

Dipole, Da:

3.69

IP(EA), eV:

 -9.95(-0.16)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[6-[(3-acetyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl)oxy]-3-hydroxy-2-methyloxan-4-yl]decanamide

Drug info:

PubChemData

Smile

CC1C(C(CC(O1)OC2C(C(OC(C2OC(CO)OC(C)CO)OC(CC=O)C(C)CCC(CC(CC=O)O)O)C)O)NC(=O)C)O

DOS

IR

Vibrations